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4-(2-Naphthyl)-3-thiabutane-1-thiol
SpectraBase Compound ID D2M9IGGKXwj
InChI InChI=1S/C13H14S2/c14-7-8-15-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14H,7-8,10H2
InChIKey JNZOODGIYHUEAT-UHFFFAOYSA-N
Mol Weight 234.37 g/mol
Molecular Formula C13H14S2
Exact Mass 234.053693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID O8VuWF4FM2
Name 4-(2-Naphthyl)-3-thiabutane-1-thiol
Alternate Name(s) 2-[(2-Naphthylmethyl)sulfanyl]ethanethiol 2-[(2-naphthylmethyl)sulfanyl]ethyl hydrosulfide
CAS Registry Number 139277-90-0
Comments Less than 3 mono-isotopic peaks
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Formula C13H14S2
InChI InChI=1S/C13H14S2/c14-7-8-15-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14H,7-8,10H2
InChIKey JNZOODGIYHUEAT-UHFFFAOYSA-N
Molecular Weight 234.375 g/mol
SMILES SCCSCc1cc2c(cc1)cccc2
SPLASH splash10-0006-0940000000-b55472e137a5f84c0fb4
Source of Spectrum J-57-2181-6
Wiley ID 1235956